E516-0004 Screening compound: ethyl 1-(1-{4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate

E516-0004 Screening compound: ethyl 1-(1-{4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate
E516-0004 Screening compound: ethyl 1-(1-{4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E516-0004
ethyl 1-(1-{4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E516-0004

Molecular Formula

C26H34N4O5 (C26 H34 N4 O5)

Compound Name

ethyl 1-(1-{4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(1-{4-oxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carbonyl}piperidine-4-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CC1)CCN1C(c(cc1)cc(N2)c1N(CCC1)C1C2=O)=O)=O)=O

InChI

InChI=1S/C26H34N4O5/c1-2-35-26(34)18-9-14-28(15-10-18)24(32)17-7-12-29(13-8-17)25(33)19-5-6-21-20(16-19)27-23(31)22-4-3-11-30(21)22/h5-6,16-18,22H,2-4,7-15H2,1H3,(H,27,31)/t22-/m0/s1

InChI Key

YDOZTGHXVKTMDG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14894273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.26

Polar Surface Area

81.983

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

E516-0004 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E516-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E516-0004?
Check Price and Availability of E516-0004, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E516-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E516-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E516-0004
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E516-0004 available by request